carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane

C12H22O3 — CID 70519103

IUPACcarbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane
SMILESCC(C)CC=CC1CC1(C)C.O=C(O)O
InChIInChI=1S/C11H20.CH2O3/c1-9(2)6-5-7-10-8-11(10,3)4;2-1(3)4/h5,7,9-10H,6,8H2,1-4H3;(H2,2,3,4)
InChIKeySKEQOAYEYCPSCV-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.86
Rot. Bonds3

About carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane

carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane (PubChem CID 70519103) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane.

Molecular Properties

Compound Namecarbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane
PubChem CID70519103
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namecarbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane
SMILESCC(C)CC=CC1CC1(C)C.O=C(O)O
InChIInChI=1S/C11H20.CH2O3/c1-9(2)6-5-7-10-8-11(10,3)4;2-1(3)4/h5,7,9-10H,6,8H2,1-4H3;(H2,2,3,4)
InChIKeySKEQOAYEYCPSCV-UHFFFAOYSA-N
XLogP3.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane?
The IUPAC name of carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane (CID 70519103) is carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane.
What is the SMILES notation for carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane?
The canonical SMILES for carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane is CC(C)CC=CC1CC1(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane?
The InChIKey is SKEQOAYEYCPSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.CH2O3/c1-9(2)6-5-7-10-8-11(10,3)4;2-1(3)4/h5,7,9-10H,6,8H2,1-4H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane?
carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane has a molecular weight of 214.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1-dimethyl-2-(4-methylpent-1-enyl)cyclopropane is sourced from PubChem (CID 70519103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).